3-[[4-cyano-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-cyano-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-1-(4-methyl-1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-1-(4-methyl-1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-1-(4-methylpiperidino)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]propyl-dimethyl-ammonium Formula: C21H34N4S+2 MolecularWeight: 374.58646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCCC[NH+](C)C)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCCC[NH+](C)C)C#N

InChI

InChI=1S/C21H32N4S/c1-16-9-12-25(13-10-16)20-18-8-5-4-7-17(18)19(15-22)21(23-20)26-14-6-11-24(2)3/h16H,4-14H2,1-3H3/p+2